4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one

C17H15NO3 — CID 62024634

IUPAC4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESCc1ccccc1C(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C17H15NO3/c1-12-6-2-3-7-13(12)15(19)10-18-14-8-4-5-9-16(14)21-11-17(18)20/h2-9H,10-11H2,1H3
InChIKeyTUTQXEFJMPEKPN-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.60
Rot. Bonds3

About 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one

4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one (PubChem CID 62024634) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
PubChem CID62024634
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESCc1ccccc1C(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C17H15NO3/c1-12-6-2-3-7-13(12)15(19)10-18-14-8-4-5-9-16(14)21-11-17(18)20/h2-9H,10-11H2,1H3
InChIKeyTUTQXEFJMPEKPN-UHFFFAOYSA-N
XLogP2.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3952636
N-(2,3-dimethylphenyl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47064356
2-[methyl-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetic acid
CID 119137153
1-[2-(2-methylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62024351
(E)-3-(2-methylphenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]prop-2-enehydrazide
CID 9236639
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 72847131
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one
CID 117007291
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one (CID 62024634) is 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one is Cc1ccccc1C(=O)CN1C(=O)COc2ccccc21.
What is the InChIKey of 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The InChIKey is TUTQXEFJMPEKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12-6-2-3-7-13(12)15(19)10-18-14-8-4-5-9-16(14)21-11-17(18)20/h2-9H,10-11H2,1H3.
What are the key properties of 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one?
4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one has a molecular weight of 281.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 62024634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).